REMARK  Name = BDB001792
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.822  -1.927  -0.078  0.00  0.00    +0.231 C 
ATOM      2  N   LIG    1       -0.122  -0.809   0.350  0.00  0.00    -0.404 N 
ATOM      3  H   LIG    1       -0.642  -0.095   0.849  0.00  0.00    +0.121 HD
ATOM      4  O   LIG    1       -0.349  -3.025  -0.376  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1       -2.321  -1.659  -0.248  0.00  0.00    +0.322 C 
BRANCH   5   6
ATOM      6  O   LIG    1       -2.811  -0.583   0.562  0.00  0.00    -0.482 OA
BRANCH   6   9
ATOM      7  C   LIG    1       -2.223   1.680  -1.062  0.00  0.00    +0.047 C 
ATOM      8  C   LIG    1       -3.622   1.171  -0.849  0.00  0.00    -0.009 A 
ATOM      9  C   LIG    1       -3.869   0.043  -0.047  0.00  0.00    +0.127 A 
ATOM     10  C   LIG    1       -5.177  -0.407   0.193  0.00  0.00    -0.009 A 
ATOM     11  C   LIG    1       -5.452  -1.599   1.065  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1       -6.241   0.252  -0.440  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -6.005   1.350  -1.267  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -4.703   1.809  -1.468  0.00  0.00    +0.007 A 
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  15
ATOM     15  N   LIG    1        1.297  -0.896   0.681  0.00  0.00    +0.425 NA
BRANCH  15  16
ATOM     16  C   LIG    1        1.936   0.101   0.052  0.00  0.00    -0.090 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.389   0.166   0.202  0.00  0.00    -0.034 A 
ATOM     18  C   LIG    1        4.288  -0.222  -0.815  0.00  0.00    +0.131 A 
ATOM     19  C   LIG    1        5.681  -0.193  -0.630  0.00  0.00    +0.082 A 
ATOM     20  C   LIG    1        6.140   0.260   0.587  0.00  0.00    +0.168 A 
ATOM     21  O   LIG    1        7.446   0.375   0.950  0.00  0.00    -0.453 OA
ATOM     22  C   LIG    1        7.306   0.836   2.311  0.00  0.00    +0.466 C 
ATOM     23  O   LIG    1        5.941   1.064   2.706  0.00  0.00    -0.453 OA
ATOM     24  C   LIG    1        5.280   0.657   1.588  0.00  0.00    +0.167 A 
ATOM     25  C   LIG    1        3.909   0.613   1.430  0.00  0.00    +0.053 A 
BRANCH  18  26
ATOM     26  N   LIG    1        3.808  -0.629  -2.125  0.00  0.00    +0.057 N 
ATOM     27  O   LIG    1        3.201   0.218  -2.800  0.00  0.00    -0.126 OA
ATOM     28  O   LIG    1        4.190  -1.733  -2.551  0.00  0.00    -0.126 OA
ENDBRANCH  18  26
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   2  15
TORSDOF 7